General Information of the Compound
| Compound ID |
CP0423693
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-carboxamido coumarin, 44
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H23NO4
|
||||||||||||||||||
| Molecular Weight |
413.473
|
||||||||||||||||||
| Canonical SMILES |
CC(C)c1ccc(NC(=O)c2cc3ccc(OCc4ccccc4)cc3oc2=O)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H23NO4/c1-17(2)19-8-11-21(12-9-19)27-25(28)23-14-20-10-13-22(15-24(20)31-26(23)29)30-16-18-6-4-3-5-7-18/h3-15,17H,16H2,1-2H3,(H,27,28)
Show/Hide
|
||||||||||||||||||
| InChIKey |
NOWKVFZIFYZZQO-UHFFFAOYSA-N
|
||||||||||||||||||
| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
|
|---|
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT00918, Amine oxidase [flavin-containing] A
Protein ID: PT01362, Amine oxidase [flavin-containing] B